Iodine in PDB 7uvg: First Cohesin of SCA5 From Ruminococcus Bromii

The structure of First Cohesin of SCA5 From Ruminococcus Bromii, PDB code: 7uvg was solved by F.Cerqueira, N.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 1.77
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	31.04, 137.79, 85.55, 90, 90, 90
R / Rfree (%)	21.3 / 27.7

The binding sites of Iodine atom in the First Cohesin of SCA5 From Ruminococcus Bromii (pdb code 7uvg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the First Cohesin of SCA5 From Ruminococcus Bromii, PDB code: 7uvg:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I402 b:32.9 occ:0.70 CA A:TYR274 3.8 30.5 1.0 N A:LYS276 3.8 35.6 1.0 CB A:LYS276 3.8 39.4 1.0 CD A:PRO275 3.8 31.3 1.0 CD1 A:ILE277 3.8 39.5 1.0 C A:TYR274 4.0 31.4 1.0 N A:PRO275 4.0 30.7 1.0 CG A:LYS276 4.1 41.4 1.0 CG1 A:ILE277 4.2 39.8 1.0 O A:HOH571 4.3 64.5 1.0 CD A:LYS276 4.3 42.8 1.0 CA A:LYS276 4.3 37.4 1.0 O A:GLU273 4.3 30.7 1.0 CB A:TYR274 4.5 29.4 1.0 N A:ILE277 4.5 36.6 1.0 CG A:PRO275 4.6 32.8 1.0 O A:TYR274 4.6 32.9 1.0 CD1 A:TYR274 4.7 28.9 1.0 C A:LYS276 4.8 37.8 1.0 O A:HOH538 4.8 51.1 1.0 N A:TYR274 4.9 30.9 1.0 C A:PRO275 4.9 34.2 1.0 CE A:LYS276 4.9 44.1 1.0 CB A:ILE277 5.0 38.1 1.0 CA A:PRO275 5.0 32.2 1.0

Iodine binding site 2 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:39.5 occ:0.60 OD1 A:ASN371 3.7 40.0 1.0 N A:THR372 3.7 35.3 1.0 NZ A:LYS223 3.7 47.8 1.0 CG A:PRO221 3.8 36.9 1.0 CA A:ASN371 3.8 36.4 1.0 CE A:LYS223 3.9 48.3 1.0 CB A:ASN371 4.0 35.2 1.0 O A:THR372 4.0 35.7 1.0 CG A:ASN371 4.3 36.0 1.0 C A:ASN371 4.3 35.6 1.0 CA A:THR372 4.6 36.2 1.0 C A:THR372 4.7 35.2 1.0 CD A:LYS223 4.7 47.3 1.0 CD A:PRO221 4.8 37.1 1.0 CB A:PRO221 4.9 36.6 1.0 O A:ASN370 4.9 36.9 1.0 CB A:THR372 5.0 36.9 1.0

Iodine binding site 3 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:45.0 occ:0.80 NE A:ARG268 3.9 41.0 1.0 CD A:ARG268 3.9 40.9 1.0 CB A:PRO275 4.0 33.0 1.0 CG A:PRO275 4.1 32.8 1.0 CA A:ALA269 4.1 37.1 1.0 CB A:ALA269 4.2 36.9 1.0 CG A:LYS276 4.2 41.4 1.0 CG A:ARG268 4.3 40.9 1.0 N A:ALA269 4.3 37.8 1.0 CE A:LYS276 4.6 44.1 1.0 O A:HOH553 4.6 46.4 1.0 C A:PRO275 4.8 34.2 1.0 C A:ARG268 4.8 38.2 1.0 CB A:ARG268 4.9 40.9 1.0 O A:PRO275 4.9 34.0 1.0 N A:LYS276 5.0 35.6 1.0 CD A:LYS276 5.0 42.8 1.0

Iodine binding site 4 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:49.9 occ:0.30 N A:GLU222 4.0 37.4 1.0 O A:HOH572 4.2 56.5 1.0 CA A:PRO221 4.3 36.1 1.0 CG A:GLU222 4.5 40.6 1.0 CB A:PRO221 4.5 36.6 1.0 C A:PRO221 4.7 36.8 1.0 CB A:GLU222 4.8 38.9 1.0 OE2 A:GLU222 4.8 43.1 1.0

Iodine binding site 5 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:83.9 occ:0.80 CA A:VAL350 3.8 34.1 1.0 N A:SER351 3.9 35.6 1.0 CB A:VAL350 4.1 34.7 1.0 CG2 A:VAL362 4.2 37.7 1.0 CG1 A:VAL350 4.3 35.4 1.0 C A:VAL350 4.4 34.3 1.0 O A:GLU349 4.4 38.5 1.0 O A:SER351 4.9 33.0 1.0 N A:VAL350 5.0 35.7 1.0 CA A:SER351 5.0 35.7 1.0

Iodine binding site 6 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I407 b:82.3 occ:0.70 O A:HOH524 3.8 62.3 1.0 CA A:LYS355 4.0 44.3 1.0 CG2 A:VAL331 4.1 36.0 1.0 N A:LYS355 4.1 42.0 1.0 CB A:GLN330 4.1 39.2 1.0 NE2 A:GLN250 4.4 44.9 1.0 O A:GLN330 4.5 34.5 1.0 C A:GLN330 4.7 34.7 1.0 C A:LYS355 4.8 41.6 1.0 CG A:GLN330 4.8 40.4 1.0 OE1 A:GLN330 4.9 50.0 1.0 CA A:GLN330 4.9 35.7 1.0 CD A:LYS355 4.9 54.9 1.0 OD1 A:ASP354 4.9 50.6 1.0

Iodine binding site 7 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:59.1 occ:0.50 N A:ASP300 3.5 30.5 1.0 CD1 A:ILE277 3.6 39.5 1.0 CE1 A:TYR274 4.0 29.2 1.0 CD1 A:TYR274 4.0 28.9 1.0 CA A:TYR299 4.0 28.9 1.0 CB A:ASP300 4.1 31.6 1.0 CZ A:TYR274 4.1 29.6 1.0 CG A:TYR274 4.2 28.6 1.0 CE2 A:TYR274 4.2 29.1 1.0 CD2 A:TYR274 4.2 29.1 1.0 O A:LEU298 4.3 32.6 1.0 O A:HOH510 4.3 46.9 1.0 C A:TYR299 4.3 29.5 1.0 CG2 A:ILE277 4.3 37.3 1.0 CA A:ASP300 4.4 30.6 1.0 CG1 A:ILE277 4.6 39.8 1.0 O A:HOH556 4.7 67.8 1.0 OH A:TYR274 4.7 31.0 1.0 CB A:ILE277 4.8 38.1 1.0 CB A:TYR299 4.8 28.1 1.0 CB A:TYR274 4.9 29.4 1.0 CD1 A:TYR299 4.9 27.4 1.0

Iodine binding site 8 out of 8 in the First Cohesin of SCA5 From Ruminococcus Bromii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of First Cohesin of SCA5 From Ruminococcus Bromii within 5.0Å range: probe atom residue distance (Å) B Occ A:I409 b:35.2 occ:0.30 N A:PHE210 3.7 42.6 1.0 CB A:PHE210 3.8 40.9 1.0 N A:TYR209 3.8 55.5 1.0 CA A:LEU208 4.2 57.2 1.0 CA A:PHE210 4.3 41.0 1.0 C A:LEU208 4.4 56.3 1.0 C A:TYR209 4.7 45.0 1.0 CA A:TYR209 4.8 49.7 1.0

F.Cerqueira, N.Koropatkin. Structures of SCA5 Cohesin Modules From Ruminococcus Bromii To Be Published.